Geometry & MOs

Info

ID:	226656
PubChem CID:	87550971
Reduced:	NSC6O6H15 (1)
Stoich.:	ABC6D6E15 (1)
Weight, g/mol:	121.073893
ΔH_f, kcal/mol:	-281.36
Dipole, Da:	2.73
IP(EA), eV:	-10.18(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-aminobutane-1,2,3-triol

Drug info:

PubChemData

Smile

CC(CO)(C(CO)S(=O)(=O)OCO)N

DOS

IR

Vibrations